Geometry & MOs

Info

ID:

419778

PubChem CID:

135109051

Reduced:

SN6O6C29H42 (1)

Stoich.:

AB6C6D29E42 (1)

Weight, g/mol:

763.336333

ΔHf, kcal/mol:

-271.81

Dipole, Da:

3.18

IP(EA), eV:

 -8.66(-0.11)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4S,7S,10R,19S)-19-benzyl-15-[2-(3,4-dimethoxyphenyl)acetyl]-4,10,12-trimethyl-7-propan-2-yl-21-thia-3,6,9,12,15,18,23-heptazabicyclo[18.2.1]tricosa-1(22),20(23)-diene-2,5,8,11,17-pentone

Drug info:

PubChemData

Smile

C[C@H]1C(=O)N[C@@H](CN(CC(=O)N[C@H](C(=O)N[C@H](C(=O)N1)CCSC)C(C)C)C(=O)[C@H]2CCC(=O)N2)CC3=CC=CC=C3

DOS

IR

Vibrations